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object --+ | MopacLauncher --+ | MopacLauncher2012
This is the API for executing the MOPAC2012 backend as an external binary.
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MopacResults object |
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MOPAC_EXEC = 'MOPAC2012.exe'
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_default_method = 'RM1'
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_valid_methods = ['AM1', 'MNDO', 'MNDOD', 'PM3', 'PM6', 'PM6-D
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_method_synonyms = {'MNDO-D': 'MNDOD', 'MNDO/D': 'MNDOD'}
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Inherited from |
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Inherited from |
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x.__init__(...) initializes x; see help(type(x)) for signature
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Process cmdline arguments that request data plotting.
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Execute MOPAC2012 binary as a subprocess.
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Run a MOPAC calculation in the local directory. The optional Structure object is updated with the output data. Return a MopacResults object.
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_valid_methods
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